General Information of the Compound
| Compound ID |
CP0932660
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| Compound Name |
1-{(S)-1-[4-(4-Fluoro-phenyl)-butyl]-piperidin-3-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C25H32FN7O
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| Molecular Weight |
465.577
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| Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)NC[C@@H]2CCCN(CCCCc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C25H32FN7O/c1-32-24(29-30-31-32)21-8-4-9-23(16-21)28-25(34)27-17-20-7-5-15-33(18-20)14-3-2-6-19-10-12-22(26)13-11-19/h4,8-13,16,20H,2-3,5-7,14-15,17-18H2,1H3,(H2,27,28,34)/t20-/m0/s1
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| InChIKey |
NXUCMGITWLTTNJ-FQEVSTJZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound